2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine

C16H26N4 — CID 64876536

IUPAC2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine
SMILESCCCC1CNC(C)(C2CC2)CN1Cc1ncccn1
InChIInChI=1S/C16H26N4/c1-3-5-14-10-19-16(2,13-6-7-13)12-20(14)11-15-17-8-4-9-18-15/h4,8-9,13-14,19H,3,5-7,10-12H2,1-2H3
InChIKeyRYKNOVWUQYIVDS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.22
Rot. Bonds5

About 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine

2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 64876536) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine
PubChem CID64876536
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine
SMILESCCCC1CNC(C)(C2CC2)CN1Cc1ncccn1
InChIInChI=1S/C16H26N4/c1-3-5-14-10-19-16(2,13-6-7-13)12-20(14)11-15-17-8-4-9-18-15/h4,8-9,13-14,19H,3,5-7,10-12H2,1-2H3
InChIKeyRYKNOVWUQYIVDS-UHFFFAOYSA-N
XLogP2.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine (CID 64876536) is 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine is CCCC1CNC(C)(C2CC2)CN1Cc1ncccn1.
What is the InChIKey of 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is RYKNOVWUQYIVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-5-14-10-19-16(2,13-6-7-13)12-20(14)11-15-17-8-4-9-18-15/h4,8-9,13-14,19H,3,5-7,10-12H2,1-2H3.
What are the key properties of 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine?
2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 64876536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).